CAS Registry Number®
55916-51-3
CAS Name
Polyphyllin VI
Molecular Formula
C39H62O13
Molecular Mass
738.90
Other Names and Identifiers
InChI
InChI=1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1
InChIKey
InChIKey=WHWWQGPCTUQCMN-JDDKMXSSSA-N
SMILES
O[C@@]12[C@]3(C)[C@@](C[C@@]1(O[C@@]4([C@H]2C)CC[C@@H](C)CO4)[H])([C@]5([C@](CC3)([C@]6(C)C(=CC5)C[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])[H]
Canonical SMILES
OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65O)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
- (3β,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
- Pennogenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
- Polygonatoside B3
- Polyphyllin VI
- Paris VI
- Saponin Tb
- 17-Hydroxyparis V
- Paris saponin VI
- Pennogenin-3-O-α-L-rhamnopyranosyl(1→2)-β-D-glucoside
Deleted or Replaced CAS Registry Numbers
109275-92-5, 117605-79-5, 84914-57-8
